8QPP
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![BU of 8qpp by Molmil](/molmil-images/mine/8qpp) | Bacillus subtilis MutS2-collided disome complex (stalled 70S) | Descriptor: | 16S rRNA (1533-MER), 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Park, E, Mackens-Kiani, T, Berhane, R, Esser, H, Erdenebat, C, Burroughs, A.M, Berninghausen, O, Aravind, L, Beckmann, R, Green, R, Buskirk, A.R. | Deposit date: | 2023-10-02 | Release date: | 2023-12-27 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | B. subtilis MutS2 splits stalled ribosomes into subunits without mRNA cleavage. Embo J., 43, 2024
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8QTG
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![BU of 8qtg by Molmil](/molmil-images/mine/8qtg) | Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 9) | Descriptor: | 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)-1~{H}-pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | Authors: | Schimpl, M. | Deposit date: | 2023-10-12 | Release date: | 2024-01-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.419 Å) | Cite: | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors. J.Med.Chem., 67, 2024
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8QTH
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![BU of 8qth by Molmil](/molmil-images/mine/8qth) | Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 8) | Descriptor: | 1-methyl-5-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-(trifluoromethyl)-7H-pyrrolo[2,3-b]pyridin-6-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | Authors: | Schimpl, M. | Deposit date: | 2023-10-12 | Release date: | 2024-01-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors. J.Med.Chem., 67, 2024
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8QTJ
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![BU of 8qtj by Molmil](/molmil-images/mine/8qtj) | Crystal structure of Cbl-b in complex with an allosteric inhibitor (compound 30) | Descriptor: | 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1~{R})-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | Authors: | Schimpl, M. | Deposit date: | 2023-10-12 | Release date: | 2024-01-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.523 Å) | Cite: | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors. J.Med.Chem., 67, 2024
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8PV8
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![BU of 8pv8 by Molmil](/molmil-images/mine/8pv8) | Chaetomium thermophilum pre-60S State 4 - post-5S rotation with Rix1 complex without Foot - composite structure | Descriptor: | 26S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Thoms, M, Cheng, J, Denk, T, Berninghausen, O, Beckmann, R. | Deposit date: | 2023-07-17 | Release date: | 2024-01-10 | Last modified: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (2.91 Å) | Cite: | Structural insights into coordinating 5S RNP rotation with ITS2 pre-RNA processing during ribosome formation. Embo Rep., 24, 2023
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6Z7R
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![BU of 6z7r by Molmil](/molmil-images/mine/6z7r) | Structure of [NiFeSe] hydrogenase from Desulfovibrio vulgaris hildenborough pressurized with Krypton gas - structure wtKr1 | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE (II) ION, ... | Authors: | Zacarias, S, Temporao, A, Carpentier, P, van der Linden, P, Pereira, I.A.C, Matias, P.M. | Deposit date: | 2020-06-01 | Release date: | 2020-09-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Exploring the gas access routes in a [NiFeSe] hydrogenase using crystals pressurized with krypton and oxygen. J.Biol.Inorg.Chem., 25, 2020
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6GVL
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![BU of 6gvl by Molmil](/molmil-images/mine/6gvl) | Second pair of Fibronectin type III domains of integrin beta4 bound to the bullous pemphigoid antigen BP230 (BPAG1e) | Descriptor: | Dystonin, Integrin beta-4 | Authors: | Manso, J.A, Gomez-Hernandez, M, Alonso-Garcia, N, de Pereda, J.M. | Deposit date: | 2018-06-21 | Release date: | 2019-03-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Integrin alpha 6 beta 4 Recognition of a Linear Motif of Bullous Pemphigoid Antigen BP230 Controls Its Recruitment to Hemidesmosomes. Structure, 27, 2019
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8QTK
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![BU of 8qtk by Molmil](/molmil-images/mine/8qtk) | Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 31) | Descriptor: | 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | Authors: | Schimpl, M. | Deposit date: | 2023-10-12 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.873 Å) | Cite: | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors. J.Med.Chem., 67, 2024
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8QFZ
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![BU of 8qfz by Molmil](/molmil-images/mine/8qfz) | TSLP-Bicycle complex | Descriptor: | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, CYS-HIS-TRP-LEU-GLU-ASN-CYS-TRP-ARG-GLY-PHE-CYS, Thymic stromal lymphopoietin | Authors: | Petersen, J. | Deposit date: | 2023-09-05 | Release date: | 2024-02-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery and Characterization of a Bicyclic Peptide (Bicycle) Binder to Thymic Stromal Lymphopoietin. J.Med.Chem., 67, 2024
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6GG1
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![BU of 6gg1 by Molmil](/molmil-images/mine/6gg1) | Structure of PROSS-edited human interleukin 24 | Descriptor: | Interleukin-24, NICKEL (II) ION, SULFATE ION | Authors: | Kolenko, P, Zahradnik, J, Kolarova, L, Schneider, B. | Deposit date: | 2018-05-02 | Release date: | 2019-05-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Flexible regions govern promiscuous binding of IL-24 to receptors IL-20R1 and IL-22R1. Febs J., 286, 2019
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6BY8
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![BU of 6by8 by Molmil](/molmil-images/mine/6by8) | Menin in complex with MI-1482 | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-1-{[(2R)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ... | Authors: | Borkin, T, Klossowski, S, Pollock, J, Linhares, B, Cierpicki, T, Grembecka, J. | Deposit date: | 2017-12-20 | Release date: | 2018-11-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Complexity of Blocking Bivalent Protein-Protein Interactions: Development of a Highly Potent Inhibitor of the Menin-Mixed-Lineage Leukemia Interaction. J.Med.Chem., 61, 2018
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1CW4
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![BU of 1cw4 by Molmil](/molmil-images/mine/1cw4) | |
1CZP
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![BU of 1czp by Molmil](/molmil-images/mine/1czp) | ANABAENA PCC7119 [2FE-2S] FERREDOXIN IN THE REDUCED AND OXIXIZED STATE AT 1.17 A | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN I | Authors: | Morales, R, Charon, M.H, Frey, M. | Deposit date: | 1999-09-06 | Release date: | 2000-01-14 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Refined X-ray structures of the oxidized, at 1.3 A, and reduced, at 1.17 A, [2Fe-2S] ferredoxin from the cyanobacterium Anabaena PCC7119 show redox-linked conformational changes. Biochemistry, 38, 1999
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6AYF
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![BU of 6ayf by Molmil](/molmil-images/mine/6ayf) | TRPML3/ML-SA1 complex at pH 7.4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Mucolipin-3 | Authors: | Zhou, X, Li, M, Su, D, Jia, Q, Li, H, Li, X, Yang, J. | Deposit date: | 2017-09-08 | Release date: | 2017-11-08 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.62 Å) | Cite: | Cryo-EM structures of the human endolysosomal TRPML3 channel in three distinct states. Nat. Struct. Mol. Biol., 24, 2017
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5APN
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![BU of 5apn by Molmil](/molmil-images/mine/5apn) | Structure of the yeast 60S ribosomal subunit in complex with Arx1, Alb1 and N-terminally tagged Rei1 | Descriptor: | 25S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Greber, B.J, Gerhardy, S, Leitner, A, Leibundgut, M, Salem, M, Boehringer, D, Leulliot, N, Aebersold, R, Panse, V.G, Ban, V. | Deposit date: | 2015-09-17 | Release date: | 2015-12-16 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.91 Å) | Cite: | Insertion of the Biogenesis Factor Rei1 Probes the Ribosomal Tunnel during 60S Maturation. Cell, 164, 2015
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4A9I
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![BU of 4a9i by Molmil](/molmil-images/mine/4a9i) | N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 3-methyl-1,2,3,4- tetrahydroquinazolin-2-one | Descriptor: | 1,2-ETHANEDIOL, 1-[1-(PYRIDIN-2-YL)INDOLIZIN-3-YL]ETHAN-1-ONE, BROMODOMAIN CONTAINING 2, ... | Authors: | Chung, C.W, Bamborough, P. | Deposit date: | 2011-11-26 | Release date: | 2012-01-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Fragment-Based Discovery of Bromodomain Inhibitors Part 1: Inhibitor Binding Modes and Implications for Lead Discovery. J.Med.Chem., 55, 2012
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5AGY
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![BU of 5agy by Molmil](/molmil-images/mine/5agy) | CRYSTAL STRUCTURE OF A TAU CLASS GST MUTANT FROM GLYCINE | Descriptor: | 4-NITROPHENYL METHANETHIOL, GLUTATHIONE S-TRANSFERASE, PHOSPHATE ION, ... | Authors: | Axarli, I, Muleta, A.W, Vlachakis, D, Kossida, S, Kotzia, G, Dhavala, P, Papageorgiou, A.C, Labrou, N.E. | Deposit date: | 2015-02-04 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Directed Evolution of Tau Class Glutathione Transferases Reveals a Site that Regulates Catalytic Efficiency and Masks Cooperativity. Biochem.J., 473, 2016
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1KE3
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![BU of 1ke3 by Molmil](/molmil-images/mine/1ke3) | |
6GJT
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![BU of 6gjt by Molmil](/molmil-images/mine/6gjt) | |
6GHF
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![BU of 6ghf by Molmil](/molmil-images/mine/6ghf) | Crystal structure of a GST variant | Descriptor: | PvGmGSTUG | Authors: | Papageorgiou, A.C, Chronopoulou, E.G, Labrou, N.E. | Deposit date: | 2018-05-07 | Release date: | 2018-12-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.52 Å) | Cite: | Expanding the Plant GSTome Through Directed Evolution: DNA Shuffling for the Generation of New Synthetic Enzymes With Engineered Catalytic and Binding Properties. Front Plant Sci, 9, 2018
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5C7M
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![BU of 5c7m by Molmil](/molmil-images/mine/5c7m) | CRYSTAL STRUCTURE OF E3 LIGASE ITCH WITH A UB VARIANT | Descriptor: | E3 ubiquitin-protein ligase Itchy homolog, Polyubiquitin-C | Authors: | Walker, J.R, Hu, J, Dong, A, Wernimont, A, Zhang, W, Sidhu, S, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Tong, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2015-06-24 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes. Mol.Cell, 62, 2016
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4AGQ
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![BU of 4agq by Molmil](/molmil-images/mine/4agq) | Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5196 | Descriptor: | 2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-[3-(phenylamino)prop-1-yn-1-yl]phenol, CELLULAR TUMOR ANTIGEN P53, ZINC ION | Authors: | Joerger, A.C, Wilcken, R, Boeckler, F.M, Fersht, A.R. | Deposit date: | 2012-01-30 | Release date: | 2012-03-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53. J.Am.Chem.Soc., 134, 2012
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1L0L
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![BU of 1l0l by Molmil](/molmil-images/mine/1l0l) | structure of bovine mitochondrial cytochrome bc1 complex with a bound fungicide famoxadone | Descriptor: | Cytochrome B, Cytochrome c1, heme protein, ... | Authors: | Gao, X, Wen, X, Yu, C.A, Esser, L, Tsao, S, Quinn, B, Zhang, L, Yu, L, Xia, D. | Deposit date: | 2002-02-11 | Release date: | 2003-04-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The Crystal Structure of Mitochondrial Cytochrome bc1 in Complex with Famoxadone: The Role of Aromatic-Aromatic Interaction in Inhibition Biochemistry, 41, 2003
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4P5Q
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![BU of 4p5q by Molmil](/molmil-images/mine/4p5q) | Human EphA3 Kinase domain in complex with quinoxaline derivatives | Descriptor: | 2-amino-1-(2-chlorophenyl)-N-(3-ethoxypropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, Ephrin type-A receptor 3 | Authors: | Dong, J, Caflisch, A. | Deposit date: | 2014-03-19 | Release date: | 2014-08-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Pyrrolo[3,2-b]quinoxaline Derivatives as Types I1/2 and II Eph Tyrosine Kinase Inhibitors: Structure-Based Design, Synthesis, and in Vivo Validation. J.Med.Chem., 57, 2014
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6GV0
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![BU of 6gv0 by Molmil](/molmil-images/mine/6gv0) | Insulin glulisine | Descriptor: | FORMIC ACID, Insulin, ZINC ION | Authors: | Chayen, N.E, Helliwell, J.R, Solomon-Gamsu, H.V, Govada, L, Morgan, M, Gillis, R.B, Adams, G. | Deposit date: | 2018-06-20 | Release date: | 2019-07-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Analysis of insulin glulisine at the molecular level by X-ray crystallography and biophysical techniques. Sci Rep, 11, 2021
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